6-[5-(hydroxymethyl)-2-(oxidanidylperoxysulfanyloxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3-oxidanidylperoxysulfanyloxy-4-oxidanyl-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name: 6-[5-(hydroxymethyl)-2-(oxidanidylperoxysulfanyloxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3-oxidanidylperoxysulfanyloxy-4-oxidanyl-5-sulfonatooxy-oxane-2-carboxylate Openeye Name: 4-hydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(oxidoperoxysulfanyloxymethyl)tetrahydrofuran-3-yl]oxy-3-oxidoperoxysulfanyloxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate CAS Name: 4-hydroxy-6-[[4-hydroxy-5-(hydroxymethyl)-2-[(oxidodioxythio)oxymethyl]-3-oxolanyl]oxy]-3-(oxidodioxythio)oxy-5-sulfonatooxy-2-oxanecarboxylate IUPAC Name: 4-hydroxy-6-[4-hydroxy-5-(hydroxymethyl)-2-(oxidoperoxysulfanyloxymethyl)oxolan-3-yl]oxy-3-oxidoperoxysulfanyloxy-5-sulfonatooxyoxane-2-carboxylate Traditional Name: 4-hydroxy-6-[4-hydroxy-5-methylol-2-[(oxidoperoxythio)oxymethyl]tetrahydrofuran-3-yl]oxy-3-(oxidoperoxythio)oxy-5-sulfato-tetrahydropyran-2-carboxylate Formula: C12H16O20S3-4 MolecularWeight: 576.43844

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COSOO[O-])OC2C(C(C(C(O2)C(=O)[O-])OSOO[O-])O)OS(=O)(=O)[O-])O)O

Isomeric SMILES

C(C1C(C(C(O1)COSOO[O-])OC2C(C(C(C(O2)C(=O)[O-])OSOO[O-])O)OS(=O)(=O)[O-])O)O

InChI

InChI=1S/C12H20O20S3/c13-1-3-5(14)7(4(24-3)2-23-33-31-29-18)25-12-9(28-35(20,21)22)6(15)8(27-34-32-30-19)10(26-12)11(16)17/h3-10,12-15,18-19H,1-2H2,(H,16,17)(H,20,21,22)/p-4